Reactivity of adducts relevant to the deposition of hexagonal BN from first-principles calculations

- Adduct (C2H5)3B:NH3-derived species are not expected to play a major role in the MOCVD of BN.
- MOCVD of BN contrasts with the MOCVD of AlN which is characterized by facile methane elimination.
- Excess ammonia is expected to have a positive impact on the growth efficiency during BN deposition.